| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(c(N(C)C)nc(N)c(n1)C(\N=C(/N)N)=O)C#Cc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24) |
| InChIKey | InChI | 1.03 | RQKKLGFFJIDEHC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N |
| SMILES | CACTVS | 3.385 | CN(C)c1nc(N)c(nc1C#Cc2ccccc2)C(=O)N=C(N)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1c(nc(c(n1)N)C(=O)N=C(N)N)C#Cc2ccccc2 |
